@inproceedings{paperid:1043871, author = {Barani, Elham and Izadyar, Mohammad}, title = {A Theoretical Study on the Solvent Effects and Activation Energy for the Encapsulation of H2O2 in beta-Cyclodextrin}, booktitle = {17th Iranian Physical Chemistry Conference}, year = {2014}, location = {Tehran, IRAN}, keywords = {Cyclodextrin; ONIOM; DFT; NBO; Functionalization}, }